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Molecule
Boron Trifluoride Etherate
CAS: 109-63-7 · C4H10BF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-63-7
- Molecular Formula
- C4H10BF3O
- Molecular Mass
- 141.93 g/mol
Identifiers
CAS Registry Number
109-63-7
SMILES
CC[O+](CC)[B-](F)(F)F
InChI Key
MZTVMRUDEFSYGQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10BF3O/c1-3-9(4-2)5(6,7)8/h3-4H2,1-2H3
Names and Synonyms
- Boron Trifluoride Etherate Synonym
- Boron, trifluoro[1,1′-oxybis[ethane]]-, (T-4)- Synonym
- Ethyl ether, compd. with boron fluoride (BF3) (1:1) Synonym
- Borane, trifluoro-, compd. with 1,1′-oxybis[ethane] (1:1) Synonym
- Ethyl ether, compd. with BF3 (1:1) Synonym
- Ethane, 1,1′-oxybis-, compd. with trifluoroborane (1:1) Synonym
- Boron fluoride (BF3), compd. with ethyl ether (1:1) Synonym
- (T-4)-Trifluoro[1,1′-oxybis[ethane]]boron Synonym
- Boron fluoride diethyl etherate Synonym
- Boron fluoride etherate Synonym
- Boron fluoride-ethyl etherate Synonym
- Boron fluoride-ethyl ether complex Synonym
- Boron trifluoride-ether complex Synonym
- Boron trifluoride-ethyl ether Synonym
- Boron trifluoride-ethyl etherate Synonym
- Boron trifluoride-ethyl ether complex Synonym
- Ethyl ether-boron trifluoride complex Synonym
- Boron trifluoride etherate Synonym
- Boron fluoride diethyl ether complex Synonym
- Boron trifluoride-diethyl ether complex Synonym
- Boron fluoride (BF3)-ethyl ether compound Synonym
- Boron trifluoride ethyl etherate (1:1) Synonym
- Boron fluoride monoetherate Synonym
- Boron trifluoride-diethyl ether complex (1:1) Synonym
- Boron trifluoride-ethyl ether (1:1) Synonym
- Trifluoroboron etherate Synonym
- Boron fluoride-diethyl ether compound Synonym
- Trifluoroborane-1,1′-oxybis[ethane] (1:1) Synonym
- Boron trifluoride-diethyl etherate Synonym
- Diethyl ether trifluoroborane complex Synonym
- Trifluoroborane diethyl etherate Synonym
- Boron trifluoride-diethyl ether 1:1 complex Synonym
- Diethyl ether compound with boron trifluoride Synonym
- Boron trifluoride etherate (1:1) Synonym
- Boron trifluoride monoetherate Synonym
- Boron trifluoride-diethyl ether (1:1) Synonym
- Diethyl ether-trifluoroborane (1:1) Synonym
- Trifluoroboron-diethyl ether (1:1) Synonym
- (Diethyl ether)trifluoroboron Synonym
- (Diethyl ether)trifluoroborane Synonym
- Trifluoro(diethyl ether)boron Synonym
- Trifluoro[1,1′-oxybis[ethane]]boron Synonym
- Boron trifluoride diethyl ether adduct Synonym
- Trifluoroborane diethyl ether complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.93 g/mol | CAS Common Chemistry |
| 141.929 g/mol | RDKit | |
| 142.07768 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.3572 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_trifluoride_etherate | CAS Common Chemistry |
| Boiling Point | 125.7 °C | CAS Common Chemistry |
| Canonical SMILES | [F-][B+3]([F-])([F-])O(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10BF3O/c1-3-9(4-2)5(6,7)8/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MZTVMRUDEFSYGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60.4 °C | CAS Common Chemistry |
| Name | Boron trifluoride etherate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
| 2.7 Ų | RDKit | |
| LogP | 1.9226 | RDKit |
| Molar Refractivity | 31.244999999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.927 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 141.93 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
